1-(4-tert-butylphenyl)sulfonylbenzimidazole

C17H18N2O2S — CID 22200835

IUPAC1-(4-tert-butylphenyl)sulfonylbenzimidazole
SMILESCC(C)(C)c1ccc(S(=O)(=O)n2cnc3ccccc32)cc1
InChIInChI=1S/C17H18N2O2S/c1-17(2,3)13-8-10-14(11-9-13)22(20,21)19-12-18-15-6-4-5-7-16(15)19/h4-12H,1-3H3
InChIKeyHAHNLZVLKXZQSL-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.57
Rot. Bonds2

About 1-(4-tert-butylphenyl)sulfonylbenzimidazole

1-(4-tert-butylphenyl)sulfonylbenzimidazole (PubChem CID 22200835) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonylbenzimidazole
PubChem CID22200835
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name1-(4-tert-butylphenyl)sulfonylbenzimidazole
SMILESCC(C)(C)c1ccc(S(=O)(=O)n2cnc3ccccc32)cc1
InChIInChI=1S/C17H18N2O2S/c1-17(2,3)13-8-10-14(11-9-13)22(20,21)19-12-18-15-6-4-5-7-16(15)19/h4-12H,1-3H3
InChIKeyHAHNLZVLKXZQSL-UHFFFAOYSA-N
XLogP3.57
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine
CID 1088438
Enviradene
CID 6435398
2-Methyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 755364
N-(1-benzyl-1H-benzo[d]imidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 44567335
N-Methyl-N-{2-methyl-4-[(1R,5S)-3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]-2-phenylbutyl}benzenesulfonamide
CID 50942877
1-(Mesitylsulfonyl)-1H-benzimidazole
CID 576712
1-(Toluene-4-sulfonyl)-1H-benzoimidazole
CID 746711
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 780101
1-(4-Fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 755179
N-[4-(5,6-dimethylbenzimidazol-1-yl)sulfonylphenyl]acetamide
CID 775478
4-methyl-N-(2-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenyl)benzenesulfonamide
CID 1147318
3-(2-{2-[(4-methylphenyl)sulfonyl]ethyl}-1H-benzimidazol-1-yl)propanenitrile
CID 2925354

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonylbenzimidazole?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonylbenzimidazole (CID 22200835) is 1-(4-tert-butylphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonylbenzimidazole?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonylbenzimidazole is CC(C)(C)c1ccc(S(=O)(=O)n2cnc3ccccc32)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonylbenzimidazole?
The InChIKey is HAHNLZVLKXZQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-17(2,3)13-8-10-14(11-9-13)22(20,21)19-12-18-15-6-4-5-7-16(15)19/h4-12H,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfonylbenzimidazole?
1-(4-tert-butylphenyl)sulfonylbenzimidazole has a molecular weight of 314.41 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 22200835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).